3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid (CHEM349939)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 21:20:01 UTC | ||||||||
| Update Date | 2026-08-31 21:20:01 UTC | ||||||||
| Accession Number | CHEM349939 | ||||||||
| Identification | |||||||||
| Common Name | 3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid is a chemical compound with the formula C36H36Br2N2O8S2. With an average molecular weight of 848.60 g/mol, 3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H36Br2N2O8S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 846.028 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC1=C(C(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C(=C4CC)Br)CC)S(=O)(=O)O)C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)O)CC)Br | ||||||||
| InChI Identifier | InChI=1S/C36H36Br2N2O8S2/c1-7-19-29(37)21(9-3)35(49(43,44)45)17(5)31(19)39-25-15-16-26(28-27(25)33(41)23-13-11-12-14-24(23)34(28)42)40-32-18(6)36(50(46,47)48)22(10-4)30(38)20(32)8-2/h11-16,39-40H,7-10H2,1-6H3,(H,43,44,45)(H,46,47,48) | ||||||||
| InChI Key | NZMNQGUWGSJELP-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
